메뉴 건너뛰기




Volumn 267, Issue 1-3 SPEC. ISS., 2007, Pages 324-337

Thermochemical considerations and bond enthalpy ratios involving triatomic 16-valence electron neutrals and ions and some isoelectronically related pentaatomics

Author keywords

Ab initio calculation; Bond enthalpy ratio; Isovalent; Pentaatomic; Triatomic

Indexed keywords


EID: 34648822639     PISSN: 13873806     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijms.2007.03.005     Document Type: Article
Times cited : (6)

References (94)
  • 17
    • 34648847964 scopus 로고    scopus 로고
    • D.D. Wagman, W.H. Evans, V.B. Parker, R.H. Schumm, I. Halow, S.M. Bailey, K.L. Churney, R.L. Nuttall, J. Phys. Chem. Reference Data, vol. 11, Suppl. No. 2: The NBS Tables of Chemical Thermodynamic Properties. Selected Values for Inorganic and C1 and C2 Organic Substances in SI Units, 1982.
  • 22
    • 34648851823 scopus 로고    scopus 로고
    • S.G. Lias, J.E. Bartmess, in NIST Chemistry WebBook, NIST Standard Reference Database Number 69, June 2005 Release.
  • 30
    • 34648852952 scopus 로고    scopus 로고
    • Gaussian 03, Revision C.02, M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.J.A. Montgomery, T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, Gaussian, Inc., Wallingford, CT, 2004.
  • 31
    • 34648849787 scopus 로고    scopus 로고
    • NBO, Version 3.1, E.D. Glendening, A.E. Reed, J.E. Carpenter, F. Weinhold, 1993.
  • 53
    • 34648858050 scopus 로고    scopus 로고
    • NIST, http://physics.nist.gov/PhysRefData/IonEnergy/tblNew.html.
  • 72
    • 34648858049 scopus 로고    scopus 로고
    • MOLPRO, a package of ab initio programs designed by H.-J. Werner and P.J. Knowles, Version 2002.6, R.D. Amos, A. Bernhardsson, A. Berning, P. Celani, D.L. Cooper, M.J.O. Deegan, A.J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, P.J. Knowles, T. Korona, R. Lindh, A.W. Lloyd, S.J. McNicholas, F.R. Manby, W. Meyer, M.E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, G. Rauhut, M. Schütz, U. Schumann, H. Stoll, A.J. Stone, R. Tarroni, T. Thorsteinsson, H.-J. Werner.
  • 77
    • 34648852949 scopus 로고    scopus 로고
    • J.F. Liebman, in: The Chemistry of Functional Groups Supplement A2: The Chemistry of Dienes and Polyenes, vol. 1, Wiley, Chichester, 1997, p. 67.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.